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Compound Detail

CHEMBL5289036

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C[C@@H]1CC[C@H]2[C@@H](CCCc3ccc(Cl)cc3)C(=O)O[C@@H]3O[C@]4(C)CC[C@@H]1[C@]32OO4
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL5289036
Phase Preclinical
Structure Type MOL
InChI Key PVKNOCBVDQYQDN-ITNUIEBSSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

420.9
MW (Da)
5.05
ALogP
5
HBA
0
HBD
54.0
PSA (Ų)
0.50
QED
1
Ro5 Violations
4
Rot. Bonds

Drug Information

Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C23H29ClO5
MW 420.93
Aromatic Rings 1
Heavy Atoms 29
NP-Likeness 2.45

Literature References

PubMed DOI Target Context # Activities
33508479 10.1016/j.ejmech.2021.113193 Plasmodium falciparum 2

Data from ChEMBL 36 via Core Engine